4-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pentan-1-one

Systemtic Name: 4-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pentan-1-one Openeye Name: 4-methyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pentan-1-one CAS Name: 4-methyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-pentanone IUPAC Name: 4-methyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-4-methyl-pentan-1-one Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S/c1-13(2)4-7-17(21)19-10-8-18(9-11-19)15-6-5-14(26(3,24)25)12-16(15)20(22)23/h5-6,12-13H,4,7-11H2,1-3H3